davunetide Report issue

Biologics Peptide Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

824.93

ALogP

-4.34

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)N)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)O
  • InChIKey: DWLTUUXCVGVRAV-XWRHUKJGSA-N
    InChI=1S/C36H60N10O12/c1-6-18(4)28(35(56)46-14-8-9-23(46)31(52)41-21(36(57)58)11-12-25(38)48)44-30(51)22(16-47)42-33(54)27(17(2)3)43-32(53)24-10-7-13-45(24)34(55)19(5)40-29(50)20(37)15-26(39)49/h17-24,27-28,47H,6-16,37H2,1-5H3,(H2,38,48)(H2,39,49)(H,40,50)(H,41,52)(H,42,54)(H,43,53)(H,44,51)(H,57,58)/t18-,19-,20-,21-,22-,23-,24-,27-,28-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2103826   ChEMBL
davunetide

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